N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine

C24H17F3N6 — CID 69061776

IUPACN-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccc(Nc4ncccn4)cc3)c(-c3cccc(C(F)(F)F)c3)nn2n1
InChIInChI=1S/C24H17F3N6/c1-15-6-11-20-21(16-7-9-19(10-8-16)30-23-28-12-3-13-29-23)22(32-33(20)31-15)17-4-2-5-18(14-17)24(25,26)27/h2-14H,1H3,(H,28,29,30)
InChIKeyHAIGHMQMFINJEG-UHFFFAOYSA-N
MW446.44 g/mol
LogP5.92
Rot. Bonds4

About N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine

N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine (PubChem CID 69061776) has the molecular formula C24H17F3N6 and a molecular weight of 446.44 g/mol. Its IUPAC name is N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine
PubChem CID69061776
Molecular FormulaC24H17F3N6
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC NameN-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccc(Nc4ncccn4)cc3)c(-c3cccc(C(F)(F)F)c3)nn2n1
InChIInChI=1S/C24H17F3N6/c1-15-6-11-20-21(16-7-9-19(10-8-16)30-23-28-12-3-13-29-23)22(32-33(20)31-15)17-4-2-5-18(14-17)24(25,26)27/h2-14H,1H3,(H,28,29,30)
InChIKeyHAIGHMQMFINJEG-UHFFFAOYSA-N
XLogP5.92
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 6539435
N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
CID 10413636
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
4-[2-(4-methoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539411
4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539406
9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 162571789
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine (CID 69061776) is N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine is Cc1ccc2c(-c3ccc(Nc4ncccn4)cc3)c(-c3cccc(C(F)(F)F)c3)nn2n1.
What is the InChIKey of N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine?
The InChIKey is HAIGHMQMFINJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6/c1-15-6-11-20-21(16-7-9-19(10-8-16)30-23-28-12-3-13-29-23)22(32-33(20)31-15)17-4-2-5-18(14-17)24(25,26)27/h2-14H,1H3,(H,28,29,30).
What are the key properties of N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine?
N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine has a molecular weight of 446.44 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-b]pyridazin-3-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 69061776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).